UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-piperidinecarboxylic acid, 1-[(9-ethyl-9H-carbazol-3-yl)methyl]- 4-piperidinecarboxylic acid, 1-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.71 13.56 -62.06 1 4 0 49 336.435 4 ↓

Analogs

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Popular Name: 4-piperidinecarboxylic acid, 1-[(9-ethyl-9H-carbazol-3-yl)methyl]-, hydrazide 4-piperidinecarboxylic acid, 1-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 9.76 -53.23 4 5 1 64 351.474 4 ↓
Hi High (pH 8-9.5) 2.12 7.5 -14.63 3 5 0 63 350.466 4 ↓

Analogs

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Popular Name: 3-piperidinecarboxylic acid, 1-[(9-ethyl-9H-carbazol-3-yl)methyl]-, hydrazide 3-piperidinecarboxylic acid, 1-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 9.71 -44.84 4 5 1 64 351.474 4 ↓
Hi High (pH 8-9.5) 2.12 7.47 -12.3 3 5 0 63 350.466 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-piperidinecarboxylic acid, 1-[(9-ethyl-9H-carbazol-3-yl)methyl]-, hydrazide 3-piperidinecarboxylic acid, 1-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 9.71 -44.9 4 5 1 64 351.474 4 ↓
Hi High (pH 8-9.5) 2.12 7.48 -12.06 3 5 0 63 350.466 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-piperidinecarboxylic acid, 1-[(9-ethyl-9H-carbazol-3-yl)methyl]- 3-piperidinecarboxylic acid, 1-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.71 13.49 -49.85 1 4 0 49 336.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-piperidinecarboxylic acid, 1-[(9-ethyl-9H-carbazol-3-yl)methyl]- 3-piperidinecarboxylic acid, 1-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.71 13.51 -49.56 1 4 0 49 336.435 4 ↓

Analogs

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Popular Name: 4-piperidinemethanamine, N-ethyl-1-[(9-ethyl-9H-carbazol-3-yl)methyl]- 4-piperidinemethanamine, N-ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.27 13.73 -103.84 3 3 2 26 351.538 6 ↓

Analogs

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Popular Name: 4-piperidinemethanol, 1-[(9-ethyl-9H-carbazol-3-yl)methyl]- 4-piperidinemethanol, 1-[(9-ethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.83 10.29 -40.52 2 3 1 30 323.46 4 ↓

Parameters Provided:

ring.id = 463656
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 463656 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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